[4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol

C20H29NO3 — CID 110013429

IUPAC[4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol
SMILESCC(C)(C)C(NCC1(CO)CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C20H29NO3/c1-19(2,3)18(17-12-15-6-4-5-7-16(15)24-17)21-13-20(14-22)8-10-23-11-9-20/h4-7,12,18,21-22H,8-11,13-14H2,1-3H3
InChIKeyYLZHDFYDPKWWGK-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.90
Rot. Bonds5

About [4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol

[4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol (PubChem CID 110013429) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is [4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol
PubChem CID110013429
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name[4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol
SMILESCC(C)(C)C(NCC1(CO)CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C20H29NO3/c1-19(2,3)18(17-12-15-6-4-5-7-16(15)24-17)21-13-20(14-22)8-10-23-11-9-20/h4-7,12,18,21-22H,8-11,13-14H2,1-3H3
InChIKeyYLZHDFYDPKWWGK-UHFFFAOYSA-N
XLogP3.90
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol with MolForge

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Related Compounds

1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 103903386
[4-[[(3-methyl-1-phenylsulfanylbutan-2-yl)amino]methyl]oxan-4-yl]methanol
CID 110011255
1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 97319276
[4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol
CID 99820181
1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine
CID 114729538
1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 114731441
4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol
CID 78928712
1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol
CID 114727447
(1S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide
CID 125446287
1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine
CID 64614485
1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 63092027
6-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoyl]naphthalene-2-carboxylic acid
CID 167752625

Frequently Asked Questions

What is the IUPAC name of [4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol (CID 110013429) is [4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol is CC(C)(C)C(NCC1(CO)CCOCC1)c1cc2ccccc2o1.
What is the InChIKey of [4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol?
The InChIKey is YLZHDFYDPKWWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-19(2,3)18(17-12-15-6-4-5-7-16(15)24-17)21-13-20(14-22)8-10-23-11-9-20/h4-7,12,18,21-22H,8-11,13-14H2,1-3H3.
What are the key properties of [4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol?
[4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol has a molecular weight of 331.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 110013429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).